CID 20784819

4-(1h-pyrazol-3-yl)morpholine

Structural Information

Molecular Formula
C7H11N3O
SMILES
C1COCCN1C2=CC=NN2
InChI
InChI=1S/C7H11N3O/c1-2-8-9-7(1)10-3-5-11-6-4-10/h1-2H,3-6H2,(H,8,9)
InChIKey
FBYLGQQDYJAERJ-UHFFFAOYSA-N
Compound name
4-(1H-pyrazol-5-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

218
Patents

153.09021 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.09749 131.4
[M+Na]+ 176.07943 137.5
[M-H]- 152.08293 132.5
[M+NH4]+ 171.12403 147.5
[M+K]+ 192.05337 136.4
[M+H-H2O]+ 136.08747 122.8
[M+HCOO]- 198.08841 148.3
[M+CH3COO]- 212.10406 143.2
[M+Na-2H]- 174.06488 137.5
[M]+ 153.08966 126.2
[M]- 153.09076 126.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe